3-(呋喃-2-基)-1-(吡啶-3-基)丙-2-烯-1-酮 | 19575-04-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(呋喃-2-基)-1-(吡啶-3-基)丙-2-烯-1-酮
• 英文名称: (E)-3-(Furan-2-yl)-1-(pyridine-3-yl)prop-2-en-1-one
• 英文别名: 3-(Furan-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one；(E)-3-(furan-2-yl)-1-pyridin-3-ylprop-2-en-1-one
• CAS: 19575-04-3
• 化学式: C₁₂H₉NO₂
• 分子量: 199.209
• InChiKey: HTGZMQHTNOCVLZ-AATRIKPKSA-N

物化性质

• 熔点：
  80.9-82.1 °C
• 沸点：
  342.9±42.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)
• 溶解度：
  23.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  糠醛 、 3-乙酰基吡啶 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 3-(呋喃-2-基)-1-(吡啶-3-基)丙-2-烯-1-酮
  参考文献：
  名称：

  Simple aromatic compounds containing propenone moiety show considerable dual COX/5-LOX inhibitory activities

  摘要：

  For the development of safer anti-inflammatory agents, simple aromatic compounds containing propenone moiety were prepared and evaluated for their dual COX/5-LOX inhibitory activities. Among the 17 prepared compounds, most of the compounds exhibited considerable COX/5-LOX inhibitory activities. Especially compound C-15 showed the most significant dual COX/5-LOX inhibitory activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.099

文献信息

• Organic compounds
  申请人：Adcock Claire

  公开号：US20090215776A1

  公开（公告）日：2009-08-27

  Compounds of formula I in free or salt or solvate form, where T 1 , T 2 , X, R a , R b , R 8 and R 9 have the meanings as indicated in the specification, are useful for treating inflammatory or obstructive airways, pulmonary hypertension, pulmonary fibrosis, liver fibrosis, muscle diseases and systemic skeletal disorders. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  式I的化合物以自由形式、盐形式或溶剂合形式存在，其中T1、T2、X、Ra、Rb、R8和R9的含义如规范中所示，可用于治疗炎症或阻塞性气道、肺动脉高压、肺纤维化、肝纤维化、肌肉疾病和全身骨骼疾病。还描述了含有这些化合物的药物组合物和制备这些化合物的方法。
• ORGANIC COMPOUNDS
  申请人：Novartis AG

  公开号：EP2242742A2

  公开（公告）日：2010-10-27
• PYRIDINE DERIVATIVES
  申请人：Novartis AG

  公开号：EP2242742B1

  公开（公告）日：2015-12-02
• US8343966B2
  申请人：——

  公开号：US8343966B2

  公开（公告）日：2013-01-01
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2009087212A2

  公开（公告）日：2009-07-16

  Compounds of formula (I) in free or salt or solvate form, are useful for treating inflammatory or obstructive airways, pulmonary hypertension, pulmonary fibrosis, liver fibrosis, muscle diseases and systemic skeletal disorders. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.